[3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C20H24FN5O2 — CID 17095954

IUPAC[3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1ncc(C2=NOC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)c1C
InChIInChI=1S/C20H24FN5O2/c1-3-26-14(2)17(13-22-26)18-12-19(28-23-18)20(27)25-10-8-24(9-11-25)16-6-4-15(21)5-7-16/h4-7,13,19H,3,8-12H2,1-2H3
InChIKeyRFCKJPQUQJRSAH-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.19
Rot. Bonds4

About [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 17095954) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID17095954
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name[3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1ncc(C2=NOC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)c1C
InChIInChI=1S/C20H24FN5O2/c1-3-26-14(2)17(13-22-26)18-12-19(28-23-18)20(27)25-10-8-24(9-11-25)16-6-4-15(21)5-7-16/h4-7,13,19H,3,8-12H2,1-2H3
InChIKeyRFCKJPQUQJRSAH-UHFFFAOYSA-N
XLogP2.19
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 17095954) is [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CCn1ncc(C2=NOC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)c1C.
What is the InChIKey of [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is RFCKJPQUQJRSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-3-26-14(2)17(13-22-26)18-12-19(28-23-18)20(27)25-10-8-24(9-11-25)16-6-4-15(21)5-7-16/h4-7,13,19H,3,8-12H2,1-2H3.
What are the key properties of [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 385.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17095954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).